General Information of the Compound
| Compound ID |
CP0076590
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| Compound Name |
N-[[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]carbamothioyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C28H25N3O4S2
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| Molecular Weight |
531.659
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| Canonical SMILES |
COc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C28H25N3O4S2/c1-35-25-15-7-20(8-16-25)19-29-37(33,34)26-17-13-24(14-18-26)30-28(36)31-27(32)23-11-9-22(10-12-23)21-5-3-2-4-6-21/h2-18,29H,19H2,1H3,(H2,30,31,32,36)
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| InChIKey |
VZKJWIXECZKRDW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound